Isobutyl isovalerate

Catalog	ACM589593
CAS	589-59-3
Structure
Description	2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry.
Synonyms	2-Methylpropyl isovalerate
IUPAC Name	2-Methylpropyl 3-methylbutanoate
Molecular Weight	158.24
Molecular Formula	C9H18O2
Canonical SMILES	CC(C)CC(=O)OCC(C)C
InChI	InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key	KEBDNKNVCHQIJU-UHFFFAOYSA-N
Boiling Point	168 °C
Melting Point	-92.8 °C
Flash Point	57 °C
Purity	98%+
Density	0.853 g/mL at 20 °C(lit.)
Solubility	Miscible with alcohol
Appearance	Colorless to pale yellow clear liquid (est)
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.406(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų